N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide

C26H33N5O2Si — CID 167374682

IUPACN-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1c(-c2cc3cc(NC(=O)C4CC4)ncc3n2C)ccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C26H33N5O2Si/c1-17-20(8-9-22-21(17)14-28-31(22)16-33-10-11-34(3,4)5)23-12-19-13-25(27-15-24(19)30(23)2)29-26(32)18-6-7-18/h8-9,12-15,18H,6-7,10-11,16H2,1-5H3,(H,27,29,32)
InChIKeyPFWQKUSOXRFKNE-UHFFFAOYSA-N
MW475.67 g/mol
LogP5.56
Rot. Bonds8

About N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide

N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 167374682) has the molecular formula C26H33N5O2Si and a molecular weight of 475.67 g/mol. Its IUPAC name is N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID167374682
Molecular FormulaC26H33N5O2Si
Molecular Weight475.67 g/mol
Exact Mass475.24
IUPAC NameN-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCc1c(-c2cc3cc(NC(=O)C4CC4)ncc3n2C)ccc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C26H33N5O2Si/c1-17-20(8-9-22-21(17)14-28-31(22)16-33-10-11-34(3,4)5)23-12-19-13-25(27-15-24(19)30(23)2)29-26(32)18-6-7-18/h8-9,12-15,18H,6-7,10-11,16H2,1-5H3,(H,27,29,32)
InChIKeyPFWQKUSOXRFKNE-UHFFFAOYSA-N
XLogP5.56
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.67
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide (CID 167374682) is N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide is Cc1c(-c2cc3cc(NC(=O)C4CC4)ncc3n2C)ccc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is PFWQKUSOXRFKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2Si/c1-17-20(8-9-22-21(17)14-28-31(22)16-33-10-11-34(3,4)5)23-12-19-13-25(27-15-24(19)30(23)2)29-26(32)18-6-7-18/h8-9,12-15,18H,6-7,10-11,16H2,1-5H3,(H,27,29,32).
What are the key properties of N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide?
N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 475.67 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]pyrrolo[2,3-c]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167374682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).